Home Other Building Blocks Benzoic acid, 4-(hydroxymethyl)-2-methoxy-

Benzoic acid, 4-(hydroxymethyl)-2-methoxy-

CAS No.:
158089-31-7
Catalog Number:
AG001PZD
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
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Product Description
Catalog Number:
AG001PZD
Chemical Name:
Benzoic acid, 4-(hydroxymethyl)-2-methoxy-
CAS Number:
158089-31-7
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD20639155
IUPAC Name:
4-(hydroxymethyl)-2-methoxybenzoic acid
InChI:
InChI=1S/C9H10O4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChI Key:
CCGBZHBLBWASBY-UHFFFAOYSA-N
SMILES:
COc1cc(CO)ccc1C(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties